3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline

C12H19ClN2O — CID 81053515

IUPAC3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
SMILESCCOCCN(C)Cc1c(N)cccc1Cl
InChIInChI=1S/C12H19ClN2O/c1-3-16-8-7-15(2)9-10-11(13)5-4-6-12(10)14/h4-6H,3,7-9,14H2,1-2H3
InChIKeyOMJUUGNXSPPLHI-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.39
Rot. Bonds6

About 3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline

3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline (PubChem CID 81053515) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
PubChem CID81053515
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
SMILESCCOCCN(C)Cc1c(N)cccc1Cl
InChIInChI=1S/C12H19ClN2O/c1-3-16-8-7-15(2)9-10-11(13)5-4-6-12(10)14/h4-6H,3,7-9,14H2,1-2H3
InChIKeyOMJUUGNXSPPLHI-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide
CID 882910
N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide
CID 2985823
(5-Chloro-2-methylphenyl)(morpholin-4-ylsulfonyl)amine
CID 6458248
2-Chloro-6-morpholin-4-ylbenzonitrile
CID 2804371
2-{[(5-Amino-2-chlorophenyl)methyl](methyl)amino}ethan-1-ol
CID 60960377
N-(3-chloro-2-methylphenyl)morpholine-4-carbothioamide
CID 800559
2-(Diethylamino)ethyl hydrogen (3-chloro-2-methylphenyl)carbonimidate--hydrogen chloride (1/1)
CID 30007
Carbanilic acid, 3-chloro-2-methyl-, 2-piperidinoethyl ester, hydrochloride
CID 30009
2-(Morpholin-4-ylmethyl)aniline
CID 6484555
4-Chloro-3-[(morpholin-4-yl)methyl]aniline
CID 17756286
3-Chloro-4-((morpholin-4-yl)methyl)aniline
CID 28721838
5-chloro-N-(2-methoxyethyl)-2-methylaniline
CID 28562932

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline?
The IUPAC name of 3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline (CID 81053515) is 3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline?
The canonical SMILES for 3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline is CCOCCN(C)Cc1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline?
The InChIKey is OMJUUGNXSPPLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-16-8-7-15(2)9-10-11(13)5-4-6-12(10)14/h4-6H,3,7-9,14H2,1-2H3.
What are the key properties of 3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline?
3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline has a molecular weight of 242.75 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 81053515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).